SCHEMBL15908366

SCHEMBL15908366

Cc1ccc(CNCC(O)CN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.57
RAB9A P51151 1/20 0.55
KIF11 P52732 1/20 0.53
PTGS1 P23219 3/20 0.52
PTGS2 P35354 2/20 0.52
MAPT P10636 4/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
HCRTR1 O43613 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13283186 0.75 RAB9A (0.62) RAB9AKIF11PTGS1PTGS2MAPT
SCHEMBL6866025 0.74 KDM1A (0.55) MAPTTSHRLMNANPSR1ALDH1A1
SCHEMBL7144824 0.72 PTGS1 (0.67) RAB9APTGS1PTGS2MAPTTSHR
SCHEMBL11678882 0.71 SLC6A2 (0.66) DNM1ALDH1A1SLC6A2
SCHEMBL12859106 0.71 RAB9A (1.00) RAB9AKIF11PTGS1PTGS2MAPT
SCHEMBL6006312 0.70 PTGS1 (0.65) RAB9AKIF11PTGS1PTGS2MAPT
SCHEMBL9396083 0.70 PTGS1 (1.00) RAB9APTGS1PTGS2MAPTTSHR
SCHEMBL31298153 0.70 PTGS1 (1.00) RAB9APTGS1PTGS2MAPTTSHR
SCHEMBL18117061 0.70 DNM1 (0.56) DNM1MAPTLMNAKMT2AMEN1
SCHEMBL7163322 0.69 MAPK1 (0.59) DNM1MAPTALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 DNM1 2528/4885RAB9A 2805/4885KIF11 3149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.